UCSF

ZINC01386283

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 24 Yes

Popular Name: 2-(cyanomethyl)-5-(3-fluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile 2-(cyanomethyl)-5-(3-fluoro-4-me…

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CAS Number: 865658-25-9

Other Names:

MFCD03848453

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.88 4.83 -17.77 0 6 0 87 321.315 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 188 - 190 KeyOrganics

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.